CID 68290

Isovaleryl diethylamide

Structural Information

Molecular Formula
C9H19NO
SMILES
CCN(CC)C(=O)CC(C)C
InChI
InChI=1S/C9H19NO/c1-5-10(6-2)9(11)7-8(3)4/h8H,5-7H2,1-4H3
InChIKey
QZMQDHNCNUGQSO-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8822
Patents

157.14667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 139.1
[M+Na]+ 180.135888 144.4
[M-H]- 156.139394 140.6
[M+NH4]+ 175.180493 160.7
[M+K]+ 196.109828 145.6
[M+H-H2O]+ 140.143930 133.8
[M+HCOO]- 202.144871 162.0
[M+CH3COO]- 216.160521 186.8
[M+Na-2H]- 178.121336 141.6
[M]+ 157.14612142 141.4
[M]- 157.14721858 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe